2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypropanoic acid

Systemtic Name: 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypropanoic acid Openeye Name: 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypropanoic acid CAS Name: 2-[[6-[3-[diethylamino(oxo)methyl]phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]propanoic acid IUPAC Name: 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxypropanoic acid Traditional Name: 2-[6-[3-(diethylcarbamoyl)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxypropionic acid Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=C(C(=NC(=N2)SC)OC(C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=C(C(=NC(=N2)SC)OC(C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O7S/c1-5-22(6-2)17(24)12-8-7-9-13(10-12)30-16-14(23(27)28)15(20-19(21-16)31-4)29-11(3)18(25)26/h7-11H,5-6H2,1-4H3,(H,25,26)